Description

Ethyl Pivaloylacetate (CAS No. 17094-34-7) is a high-purity organic ester with the molecular formula C₉H₁₆O₃. This versatile compound is widely used in pharmaceutical synthesis, agrochemical production, and specialty chemical applications. It features a pivaloyl (trimethylacetyl) group bonded to an ethyl acetoacetate moiety, offering excellent reactivity as a ketoester intermediate. Our product is supplied as a clear, colorless to pale yellow liquid with a characteristic ester-like odor, and is guaranteed to be ≥97.0% pure by GC analysis. Ideal for use in Claisen condensations, Michael additions, and other carbon-carbon bond forming reactions. Packaged under inert gas to ensure stability and shipped with comprehensive analytical documentation including GC, NMR, and HPLC data upon request.

Properties

• CAS Number: 17094-34-7
• Complexity: 177
• IUPAC Name: ethyl 4,4-dimethyl-3-oxo-pentanoate
• InChI: InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3
• InChI Key: VUYNTIDSHCJIKF-UHFFFAOYSA-N
• Exact Mass: 172.109944368
• Molecular Formula: C9H16O3
• Molecular Weight: 172.22
• SMILES: CCOC(=O)CC(=O)C(C)(C)C
• Topological: 43.4
• Monoisotopic Mass: 172.109944368
• Synonyms: 17094-34-7, Ethyl pivaloylacetate, Ethyl 4,4-dimethyl-3-oxovalerate, Ethyl 4,4,4-trimethylacetoacetate, RHZ3L061FH, ethyl pivaloylacetoacetate, Ethyl 3-oxo-4,4-dimethylpentanoate, EINECS 241-162-4, Ethyl (2,2-dimethylpropionyl)acetate, Pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester, AI3-19273, DTXSID0066161, DTXCID8035473, 241-162-4, Ethyl 4,4-dimethyl-3-oxopentanoate, ethyl pivaloyl acetate, 4,4-Dimethyl-3-oxovaleric acid ethyl ester, Pivaloylacetic Acid Ethyl Ester, 4,4-dimethyl-3-oxo-pentanoic acid ethyl ester, MFCD00042886, Ethyl 4,4-dimethyl-3-oxo-pentanoate, Ethylpivaloylacetate, UNII-RHZ3L061FH, SCHEMBL66328, Valeric acid, 4,4-dimethyl-3-oxo-, ethyl ester, pivaloyl acetic acid ethyl ester, VUYNTIDSHCJIKF-UHFFFAOYSA-, ethyl4,4-dimethyl-3-oxopentanoate, STL185692, AKOS000120574, HY-W076971, Ethyl pivaloylacetate, >=97.0% (GC), AC-10067, DA-09360, MS-20229, SY007232, CS-0131139, D1891, NS00025606, ST50825011, 4,4-Dimethyl-3-oxopentanoic acid ethyl ester, EN300-21058, InChI=1/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3

Ethyl pivaloylacetate serves as a key building block in the synthesis of β-keto esters and heterocyclic compounds. It is commonly employed in pharmaceutical research for the preparation of active pharmaceutical ingredients (APIs) with branched alkyl chains. The compound’s reactivity makes it valuable for producing agricultural chemicals and fragrances. Its sterically hindered structure is particularly useful for creating thermally stable derivatives in material science applications.

Safety and Hazards

GHS Hazard Statements

• H227 (100%): Combustible liquid [Warning Flammable liquids]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (100%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.